Geometry & MOs

Info

ID:	414193
PubChem CID:	135087149
Reduced:	NF3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-282.76
Dipole, Da:	1.53
IP(EA), eV:	-10.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3E)-3-(furan-2-ylmethylidene)-2-oxoazepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC/C(=C\C2=CC=C(C=C2)C(F)(F)F)/C1=O

DOS

IR

Vibrations